N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine

C54H35NS — CID 177097163

IUPACN-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3-c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C54H35NS/c1-2-16-37(17-3-1)42-33-34-48(45-23-9-8-22-43(42)45)55(50-28-14-30-52-54(50)47-24-10-11-29-51(47)56-52)49-27-13-26-46(44-25-12-20-38-18-6-7-21-41(38)44)53(49)40-32-31-36-15-4-5-19-39(36)35-40/h1-35H
InChIKeyNEMOKNYMLPPJGR-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.98
Rot. Bonds6

About N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine

N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine (PubChem CID 177097163) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine
PubChem CID177097163
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC NameN-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3-c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C54H35NS/c1-2-16-37(17-3-1)42-33-34-48(45-23-9-8-22-43(42)45)55(50-28-14-30-52-54(50)47-24-10-11-29-51(47)56-52)49-27-13-26-46(44-25-12-20-38-18-6-7-21-41(38)44)53(49)40-32-31-36-15-4-5-19-39(36)35-40/h1-35H
InChIKeyNEMOKNYMLPPJGR-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine;N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine;N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-1-amine
CID 163621993
N-(2-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774702
N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-(4-dibenzothiophen-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 157077380
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168788625
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzothiophen-1-amine
CID 168848047
2-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326060
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 166055346
4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-amine
CID 168847673
N-(3-dibenzothiophen-1-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767282

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine?
The IUPAC name of N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine (CID 177097163) is N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3-c3ccc4ccccc4c3)c3cccc4sc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine?
The InChIKey is NEMOKNYMLPPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-2-16-37(17-3-1)42-33-34-48(45-23-9-8-22-43(42)45)55(50-28-14-30-52-54(50)47-24-10-11-29-51(47)56-52)49-27-13-26-46(44-25-12-20-38-18-6-7-21-41(38)44)53(49)40-32-31-36-15-4-5-19-39(36)35-40/h1-35H.
What are the key properties of N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine?
N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine has a molecular weight of 729.95 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-yl-2-naphthalen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzothiophen-1-amine is sourced from PubChem (CID 177097163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).